SCHEMBL23158348

SCHEMBL23158348

O[C@@H](COI)CN1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 2/20 0.67
▸ L3MBTL1 Q9Y468 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ GAA P10253 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ TSHR P16473 2/20 0.51
▸ PKM P14618 1/20 0.50
▸ KMT2A Q03164 4/20 0.48
▸ ADRB2 P07550 1/20 0.48
▸ ADRB1 P08588 1/20 0.48
▸ ADRB3 P13945 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL709506 0.81 USP2 (1.00) USP2L3MBTL1SMN1; SMN2GAAMAPK1
SCHEMBL14116865 0.81 USP2 (0.67) USP2L3MBTL1SMN1; SMN2GAAMAPK1
SCHEMBL20487113 0.81 USP2 (0.67) USP2L3MBTL1SMN1; SMN2GAAMAPK1
SCHEMBL4853931 0.81 USP2 (0.67) USP2L3MBTL1SMN1; SMN2GAAMAPK1
SCHEMBL12056425 0.81 USP2 (0.67) USP2L3MBTL1SMN1; SMN2GAAMAPK1
Hydrochloric Acid SCHEMBL8577317 0.79 USP2 (0.64) USP2L3MBTL1SMN1; SMN2GAAMAPK1
Hydrochloric Acid SCHEMBL11142676 0.79 USP2 (0.64) USP2L3MBTL1SMN1; SMN2GAAMAPK1
SCHEMBL22354571 0.78 USP2 (0.62) USP2L3MBTL1SMN1; SMN2GAAMAPK1
SCHEMBL14076168 0.78 USP2 (0.62) USP2L3MBTL1SMN1; SMN2GAAMAPK1
SCHEMBL12228113 0.78 SMN1; SMN2 (0.63) USP2L3MBTL1SMN1; SMN2GAAMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021057832-A1 KRAS MUTANT PROTEIN INHIBITOR JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-04-01 — — WO disclosed
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